7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C7H6ClN3 — CID 83679024

IUPAC7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(Cl)ccn12
InChIInChI=1S/C7H6ClN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3
InChIKeyWPJMCUNNAFLDFT-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83679024) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83679024
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(Cl)ccn12
InChIInChI=1S/C7H6ClN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3
InChIKeyWPJMCUNNAFLDFT-UHFFFAOYSA-N
XLogP1.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 83679024) is 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WPJMCUNNAFLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3.
What are the key properties of 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 167.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83679024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).